SCHEMBL2363486

SCHEMBL2363486

O=C(CC/C(=N/O)OC(=O)c1ccccc1[N+](=O)[O-])OC(=O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSD P07339 1/20 0.44
ALDH1A1 P00352 5/20 0.43
KMT2A Q03164 2/20 0.42
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.40
GAA P10253 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
LMNA P02545 2/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7599146 0.89 GPR35 (0.39) CTSDALDH1A1NPC1RAB9AMAPT
SCHEMBL4339404 0.81 CTSD (0.47) CTSDALDH1A1KMT2ANPC1RAB9A
SCHEMBL27410518 0.79 CTSD (0.53) CTSDALDH1A1KMT2ANPC1RAB9A
SCHEMBL2362641 0.78 RAB9A (0.41) ALDH1A1KMT2ANPC1RAB9AMAPT
SCHEMBL2363363 0.78 CES2 (0.41) ALDH1A1KMT2AHTTGAAL3MBTL1
SCHEMBL2289848 0.78 ALDH1A1 (0.61) CTSDALDH1A1KMT2ANPC1RAB9A
SCHEMBL9244293 0.76 AKR1C3 (0.44) ALDH1A1KMT2AMAPTGAAL3MBTL1
SCHEMBL9647951 0.75 ALDH1A1 (0.58) CTSDALDH1A1KMT2ANPC1RAB9A
SCHEMBL5195782 0.75 CYP3A4 (0.33) ALDH1A1
SCHEMBL17982463 0.74 CTSD (0.46) CTSDALDH1A1KMT2ANPC1RAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7989430-B2 Antibacterial agents REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2011-08-02 US disclosed
US-20080293666-A1 Antibacterial Agents REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2008-11-27 US disclosed
EP-1960518-A2 ANTIBACTERIAL AGENTS REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2008-08-27 EP disclosed
WO-2007067559-A2 ANTIBACTERIAL AGENTS REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2007-06-14 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080293666-A1 Antibacterial Agents MRPL21, ABCB7, MSR1 CTSD 2573/4885ALDH1A1 1972/4885KMT2A 4023/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.